Cyclopentanecarbaldehyde → 1-[[2-[[Cyclopentylmethyl-(3,4-difluorophenyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfonyl]pyrrolidine-2-carboxylic acid

HRID 1553604Notes

Reaction equation

HRID 1553604 reaction equation
[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([S:10](=[O:11])(=[O:12])[c:13]2[cH:14][n:15][c:16]([NH:18][C:19](=[O:20])[N:21]([c:22]3[cH:23][c:24]([F:29])[c:25]([F:28])[cH:26][cH:27]3)[CH2:30][CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[s:17]2)[CH2:7][CH2:8][CH2:9]1.[CH3:79][O:80][C:81]([CH:82]1[CH2:83][CH2:84][CH2:85][N:86]1[S:87]([c:88]1[s:89][c:90]([NH2:91])[n:92][cH:93]1)(=[O:94])=[O:95])=[O:96].[CH:36]1([CH2:37][N:38]([c:39]2[cH:40][cH:41][c:42]([F:43])[c:44]([F:45])[cH:46]2)[C:47](=[O:48])[NH:49][c:50]2[s:51][cH:52][c:53]([CH2:54][C:55]([OH:56])=[O:57])[n:58]2)[CH2:59][CH2:60][CH2:61][CH2:62]1.[CH:72]1([CH:73]=[O:74])[CH2:75][CH2:76][CH2:77][CH2:78]1.[F:63][c:64]1[cH:65][c:66]([NH2:71])[cH:67][cH:68][c:69]1[F:70]>>[O:2]=[C:3]([OH:4])[CH:5]1[N:6]([S:10](=[O:11])(=[O:12])[c:13]2[cH:14][n:15][c:16]([NH:18][C:19](=[O:20])[N:21]([c:22]3[cH:23][c:24]([F:29])[c:25]([F:28])[cH:26][cH:27]3)[CH2:30][CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[s:17]2)[CH2:7][CH2:8][CH2:9]1

Participants

6

Reactant 5

HCID 70106CyclopentanecarbaldehydeHCID 774693,4-DifluoroanilineHCID 57668246{2-[3-Cyclopentylmethyl-3-(3,4-difluoro-phenyl)-ureido]-thiazol-4-yl}-acetic acidHCID 86253784Methyl 1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylateHCID 87216444Methyl 1-[[2-[[cyclopentylmethyl-(3,4-difluorophenyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfonyl]pyrrolidine-2-carboxylate

Product 1

HCID 765879121-[[2-[[Cyclopentylmethyl-(3,4-difluorophenyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfonyl]pyrrolidine-2-carboxylic acid

Sources & evidence

ORD record
ord-c19addfec3d4439787103f96b11fa5ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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